1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine

C16H18N2 — CID 86745479

IUPAC1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine
SMILESCN1CCN(C2=CC34C=CC=CC3=CC2=C4)CC1
InChIInChI=1S/C16H18N2/c1-17-6-8-18(9-7-17)15-12-16-5-3-2-4-14(16)10-13(15)11-16/h2-5,10-12H,6-9H2,1H3
InChIKeyOTANFLYTSOHUAP-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.11
Rot. Bonds1

About 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine

1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine (PubChem CID 86745479) has the molecular formula C16H18N2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine.

Molecular Properties

Compound Name1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine
PubChem CID86745479
Molecular FormulaC16H18N2
Molecular Weight238.33 g/mol
Exact Mass238.15
IUPAC Name1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine
SMILESCN1CCN(C2=CC34C=CC=CC3=CC2=C4)CC1
InChIInChI=1S/C16H18N2/c1-17-6-8-18(9-7-17)15-12-16-5-3-2-4-14(16)10-13(15)11-16/h2-5,10-12H,6-9H2,1H3
InChIKeyOTANFLYTSOHUAP-UHFFFAOYSA-N
XLogP2.11
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine?
The IUPAC name of 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine (CID 86745479) is 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine.
What is the SMILES notation for 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine?
The canonical SMILES for 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine is CN1CCN(C2=CC34C=CC=CC3=CC2=C4)CC1.
What is the InChIKey of 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine?
The InChIKey is OTANFLYTSOHUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2/c1-17-6-8-18(9-7-17)15-12-16-5-3-2-4-14(16)10-13(15)11-16/h2-5,10-12H,6-9H2,1H3.
What are the key properties of 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine?
1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine has a molecular weight of 238.33 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(9-tricyclo[6.2.1.01,6]undeca-2,4,6,8(11),9-pentaenyl)piperazine is sourced from PubChem (CID 86745479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).